CID 135404723

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate

Structural Information

Molecular Formula
C14H13NO4S
SMILES
CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)O)C=O)C
InChI
InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,17H,3H2,1-2H3
InChIKey
NJRGQNNSIAFIJC-UHFFFAOYSA-N
Compound name
ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

291.05652 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06380 164.1
[M+Na]+ 314.04574 174.0
[M-H]- 290.04924 169.5
[M+NH4]+ 309.09034 180.5
[M+K]+ 330.01968 170.0
[M+H-H2O]+ 274.05378 157.5
[M+HCOO]- 336.05472 181.6
[M+CH3COO]- 350.07037 197.2
[M+Na-2H]- 312.03119 162.6
[M]+ 291.05597 170.2
[M]- 291.05707 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.